UCSF

ZINC12960587

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 42 No

Other Names:

MFCD03012201

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 8.72 21.94 -20.7 0 4 0 53 548.638 10

Vendor Notes

Note Type Comments Provided By
melting_point 225 - 227 KeyOrganics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )